SCHEMBL3258722

SCHEMBL3258722

CC(=O)NCCNc1cc(NC(=O)CN2CCN(c3ccc(C)c(C)c3)CC2)nc(-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ USP2 O75604 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GSK3B P49841 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR7 P34969 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3162425 0.91 EGFR (0.53) EGFRSMN1; SMN2MEN1KMT2AATM
SCHEMBL3170421 0.90 SMN1; SMN2 (0.55) EGFRSMN1; SMN2MEN1KMT2AATM
SCHEMBL3166249 0.90 GAA (0.54) EGFRSMN1; SMN2MEN1KMT2AATM
SCHEMBL3162806 0.89 JAK3 (0.51) EGFRSMN1; SMN2MEN1KMT2AUSP2
SCHEMBL3161698 0.89 ALDH1A1 (0.54) EGFRSMN1; SMN2MEN1KMT2AUSP2
SCHEMBL3164831 0.88 MAPT (0.50) EGFRSMN1; SMN2KMT2AUSP2TSHR
SCHEMBL3175543 0.88 EGFR (0.50) EGFRSMN1; SMN2MEN1KMT2AATM
SCHEMBL3260259 0.87 ALDH1A1 (0.45) EGFRSMN1; SMN2MEN1KMT2AUSP2
SCHEMBL3165286 0.87 USP2 (0.57) SMN1; SMN2MEN1KMT2AUSP2TSHR
SCHEMBL3156668 0.87 MAPT (0.59) SMN1; SMN2MEN1KMT2AUSP2TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465631-B1 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2010-02-24 — — EP disclosed
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